trifluoromethanesulfonate;trimethylstannanylium

C4H9F3O3SSn — CID 119095664

IUPACtrifluoromethanesulfonate;trimethylstannanylium
SMILESC[Sn+](C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/CHF3O3S.3CH3.Sn/c2-1(3,4)8(5,6)7;;;;/h(H,5,6,7);3*1H3;/q;;;;+1/p-1
InChIKeyNLACITCNFKGLRP-UHFFFAOYSA-M
MW312.89 g/mol
LogP1.42
Rot. Bonds

About trifluoromethanesulfonate;trimethylstannanylium

trifluoromethanesulfonate;trimethylstannanylium (PubChem CID 119095664) has the molecular formula C4H9F3O3SSn and a molecular weight of 312.89 g/mol. Its IUPAC name is trifluoromethanesulfonate;trimethylstannanylium.

Molecular Properties

Compound Nametrifluoromethanesulfonate;trimethylstannanylium
PubChem CID119095664
Molecular FormulaC4H9F3O3SSn
Molecular Weight312.89 g/mol
Exact Mass313.92
IUPAC Nametrifluoromethanesulfonate;trimethylstannanylium
SMILESC[Sn+](C)C.O=S(=O)([O-])C(F)(F)F
InChIInChI=1S/CHF3O3S.3CH3.Sn/c2-1(3,4)8(5,6)7;;;;/h(H,5,6,7);3*1H3;/q;;;;+1/p-1
InChIKeyNLACITCNFKGLRP-UHFFFAOYSA-M
XLogP1.42
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
dimethylalumanylium;trifluoromethanesulfonate
CID 16688558
scandium(3+);tris(trifluoromethanesulfonate);hydrate
CID 134128705
lanthanum(3+);tris(trifluoromethanesulfonate);hydrate
CID 71311383
oxygen(2-);bis(trifluoromethanesulfonate);zirconium(4+)
CID 24866233
copper;bis(trifluoromethanesulfonate);trihydrate
CID 140682148
lanthanum(3+);trifluoromethanesulfonate;hydrate
CID 22625223
erbium(3+);tris(trifluoromethanesulfonate);hydrate
CID 141284699

Frequently Asked Questions

What is the IUPAC name of trifluoromethanesulfonate;trimethylstannanylium?
The IUPAC name of trifluoromethanesulfonate;trimethylstannanylium (CID 119095664) is trifluoromethanesulfonate;trimethylstannanylium.
What is the SMILES notation for trifluoromethanesulfonate;trimethylstannanylium?
The canonical SMILES for trifluoromethanesulfonate;trimethylstannanylium is C[Sn+](C)C.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of trifluoromethanesulfonate;trimethylstannanylium?
The InChIKey is NLACITCNFKGLRP-UHFFFAOYSA-M. The full InChI is InChI=1S/CHF3O3S.3CH3.Sn/c2-1(3,4)8(5,6)7;;;;/h(H,5,6,7);3*1H3;/q;;;;+1/p-1.
What are the key properties of trifluoromethanesulfonate;trimethylstannanylium?
trifluoromethanesulfonate;trimethylstannanylium has a molecular weight of 312.89 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonate;trimethylstannanylium is sourced from PubChem (CID 119095664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).